CID 698358

1-(2-chlorophenyl)-3-phenylthiourea

Structural Information

Molecular Formula
C13H11ClN2S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl
InChI
InChI=1S/C13H11ClN2S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKey
GJXBIVMCTDXUKR-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

262.03314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04042 156.4
[M+Na]+ 285.02236 170.4
[M+NH4]+ 280.06696 166.4
[M+K]+ 300.99630 159.6
[M-H]- 261.02586 162.8
[M+Na-2H]- 283.00781 166.4
[M]+ 262.03259 161.0
[M]- 262.03369 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe